Theoretical Studies of Copper Oxide Clusters: Prediction of an Electronically Driven Phase Separation in YBa2Cu3Ox
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ABSTRACTOn the basis of semi-empirical extended Hiickel molecular orbital calculations of copper-oxide clusters representing the new superconducting material YBa2Cu3Ox, a phase diagram is proposed which suggests that the 94 K high temperature superconducting phase of YBa2Cu3Ox is characterized by an oxygen stoichiometry near 7.0. The phase diagram predicts that a plateau should exist for Tc in the region x = 0.0 – 0.25 and that in this region two phases are present which are characterized by compositions having oxygen stoichiometries 6.5–6.75 and ca. 7.0.
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1987 ◽
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pp. 2528-2530
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2020 ◽
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pp. 9346-9349
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